(2S)-2-methoxy-N-[2-[1-[(4-methoxy-3-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-ethanamide

Systemtic Name: (2S)-2-methoxy-N-[2-[1-[(4-methoxy-3-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-ethanamide Openeye Name: (2S)-N-[2-[1-[(3-hydroxy-4-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxy-2-phenyl-acetamide CAS Name: (2S)-N-[2-[1-[(3-hydroxy-4-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-2-methoxy-2-phenylacetamide IUPAC Name: (2S)-N-[2-[1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide Traditional Name: (2S)-N-[2-[1-(3-hydroxy-4-methoxy-benzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxy-2-phenyl-acetamide Formula: C25H31N4O4+ MolecularWeight: 451.53804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C(C4=CC=CC=C4)OC)O

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)[C@H](C4=CC=CC=C4)OC)O

InChI

InChI=1S/C25H30N4O4/c1-32-22-9-8-18(16-21(22)30)17-28-14-11-20(12-15-28)29-23(10-13-26-29)27-25(31)24(33-2)19-6-4-3-5-7-19/h3-10,13,16,20,24,30H,11-12,14-15,17H2,1-2H3,(H,27,31)/p+1/t24-/m0/s1